SCHEMBL22050704

SCHEMBL22050704

NC(=O)c1c[nH]c2c(F)cncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PIM1 P11309 2/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ MPO P05164 3/20 0.36
▸ GUSB P08236 2/20 0.36
▸ BTK Q06187 2/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ MAP2K2 P36507 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PCSK9 Q8NBP7 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ BAD Q92934 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22050219 0.86 CSNK2A2 (0.38) ALDH1A1GUSBLMNAKDM4E
SCHEMBL21988036 0.76 GUSB (0.32) GUSB
SCHEMBL30909242 0.75 MPO (0.57) ALDH1A1ATMPIM1PIM3MPO
SCHEMBL31585648 0.74 ALDH1A1 (0.34) ALDH1A1ATMPIM1PIM3MPO
SCHEMBL22050218 0.73 MPO (0.33) MPO
Hydrochloric Acid SCHEMBL21988072 0.72 MPO (0.32) MPO
SCHEMBL21988074 0.71 STING1 (0.33) GUSB
SCHEMBL20621867 0.70 CCNC (0.36) ALDH1A1ATMPIM1PIM3GUSB
SCHEMBL19249969 0.69 TDO2 (0.33) ATMPIM1PIM3HTR1AHTR7
SCHEMBL15636281 0.69 CCNT1 (0.34) PIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2020-06-04 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200172534-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4654/4885ATM 110/4885PIM1 2978/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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